ethyl 4-[[5-[(3-methylphenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(3-methylphenyl)carbonylamino]-1-propan-2-yl-benzimidazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-isopropyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1-propan-2-yl-2-benzimidazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(3-methylbenzoyl)amino]-1-propan-2-ylbenzimidazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-isopropyl-5-(m-toluoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C(C)C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H33N5O3/c1-5-34-26(33)30-13-11-29(12-14-30)17-24-28-22-16-21(9-10-23(22)31(24)18(2)3)27-25(32)20-8-6-7-19(4)15-20/h6-10,15-16,18H,5,11-14,17H2,1-4H3,(H,27,32)